USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 CYS SG : rot -132:sc= 0.00757 USER MOD Set 1.2: A 100 CYS SG : rot 143:sc= 0.0696 USER MOD Set 1.3: A 113 HIS : no HE2:sc= 0.183 K(o=1.3,f=0.59) USER MOD Set 1.4: A 119 HIS : no HD1:sc= 0 X(o=1.3,f=1) USER MOD Set 1.5: A 122 ASN : amide:sc= 1.06 K(o=1.3,f=0.0048) USER MOD Set 2.1: A 36 CYS SG : rot -133:sc= 0.123 USER MOD Set 2.2: A 39 CYS SG : rot 133:sc= 0.241 USER MOD Set 2.3: A 52 HIS : no HE2:sc= -0.432 K(o=0.0088,f=-0.98) USER MOD Set 2.4: A 58 HIS : no HD1:sc= 0.077 K(o=0.0088,f=-0.79) USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= 1.32 (180deg=0.628) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.862 K(o=0.86,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0.29 K(o=0.29,f=-2.4!) USER MOD Single : A 32 SER OG : rot -45:sc= 0.91 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0.877 (180deg=0.864) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0904 X(o=-0.09,f=-0.13) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 2.16 (180deg=1.61) USER MOD Single : A 53 TYR OH : rot -167:sc= 1.05 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00437) USER MOD Single : A 60 ASN : amide:sc= 0.601 K(o=0.6,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -29:sc= 0.153 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.833 USER MOD Single : A 101 ASN : amide:sc=-0.00726 K(o=-0.0073,f=-0.78) USER MOD Single : A 102 MET CE :methyl -161:sc=-0.00666 (180deg=-0.0234) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 26:sc= 0.569 USER MOD Single : A 112 SER OG : rot 76:sc= 1.01 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00309) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -18.144 7.840 15.728 1.00 1.00 N ATOM 189 CA GLY A 16 -17.985 7.265 17.070 1.00 1.00 C ATOM 190 C GLY A 16 -16.971 6.120 17.124 1.00 1.00 C ATOM 191 O GLY A 16 -16.692 5.479 16.105 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.673 8.050 17.759 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.952 6.901 17.418 1.00 1.00 H new ATOM 195 N LYS A 17 -16.421 5.848 18.317 1.00 1.00 N ATOM 196 CA LYS A 17 -15.418 4.787 18.535 1.00 1.00 C ATOM 197 C LYS A 17 -15.900 3.401 18.100 1.00 1.00 C ATOM 198 O LYS A 17 -15.114 2.647 17.537 1.00 1.00 O ATOM 199 CB LYS A 17 -14.926 4.800 19.996 1.00 1.00 C ATOM 200 CG LYS A 17 -13.900 3.677 20.246 1.00 1.00 C ATOM 201 CD LYS A 17 -13.029 3.863 21.491 1.00 1.00 C ATOM 202 CE LYS A 17 -13.824 4.020 22.793 1.00 1.00 C ATOM 203 NZ LYS A 17 -12.930 3.877 23.970 1.00 1.00 N ATOM 0 H LYS A 17 -16.660 6.360 19.166 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.570 5.011 17.887 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -14.475 5.766 20.222 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -15.774 4.679 20.670 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.433 2.730 20.332 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -13.250 3.598 19.375 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -12.362 3.006 21.586 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -12.400 4.743 21.353 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -14.309 4.996 22.814 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -14.614 3.270 22.836 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -13.269 4.489 24.740 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -12.931 2.887 24.289 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -11.963 4.155 23.707 1.00 1.00 H new ATOM 217 N ASP A 18 -17.173 3.065 18.314 1.00 1.00 N ATOM 218 CA ASP A 18 -17.744 1.769 17.910 1.00 1.00 C ATOM 219 C ASP A 18 -17.620 1.535 16.393 1.00 1.00 C ATOM 220 O ASP A 18 -17.191 0.463 15.957 1.00 1.00 O ATOM 221 CB ASP A 18 -19.215 1.687 18.347 1.00 1.00 C ATOM 222 CG ASP A 18 -19.357 1.678 19.876 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.213 0.595 20.492 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.606 2.758 20.466 1.00 1.00 O ATOM 0 H ASP A 18 -17.843 3.682 18.773 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.175 0.983 18.407 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.764 2.534 17.936 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.667 0.785 17.935 1.00 1.00 H new ATOM 229 N ALA A 19 -17.933 2.554 15.583 1.00 1.00 N ATOM 230 CA ALA A 19 -17.789 2.486 14.132 1.00 1.00 C ATOM 231 C ALA A 19 -16.310 2.473 13.712 1.00 1.00 C ATOM 232 O ALA A 19 -15.948 1.702 12.827 1.00 1.00 O ATOM 233 CB ALA A 19 -18.563 3.637 13.484 1.00 1.00 C ATOM 0 H ALA A 19 -18.293 3.447 15.920 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.214 1.547 13.778 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -18.454 3.584 12.401 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.618 3.559 13.747 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -18.169 4.588 13.842 1.00 1.00 H new ATOM 239 N VAL A 20 -15.437 3.266 14.353 1.00 1.00 N ATOM 240 CA VAL A 20 -13.987 3.252 14.060 1.00 1.00 C ATOM 241 C VAL A 20 -13.384 1.876 14.376 1.00 1.00 C ATOM 242 O VAL A 20 -12.631 1.338 13.568 1.00 1.00 O ATOM 243 CB VAL A 20 -13.239 4.383 14.797 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.720 4.275 14.606 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.665 5.758 14.263 1.00 1.00 C ATOM 0 H VAL A 20 -15.707 3.928 15.080 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.863 3.438 12.993 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.492 4.280 15.852 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -11.228 5.088 15.139 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.371 3.320 14.998 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.481 4.340 13.544 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -13.125 6.539 14.798 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -13.437 5.822 13.199 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.736 5.890 14.413 1.00 1.00 H new ATOM 255 N ASN A 21 -13.748 1.256 15.502 1.00 1.00 N ATOM 256 CA ASN A 21 -13.316 -0.093 15.876 1.00 1.00 C ATOM 257 C ASN A 21 -13.758 -1.122 14.818 1.00 1.00 C ATOM 258 O ASN A 21 -12.951 -1.935 14.370 1.00 1.00 O ATOM 259 CB ASN A 21 -13.885 -0.398 17.272 1.00 1.00 C ATOM 260 CG ASN A 21 -13.706 -1.852 17.673 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.604 -2.350 17.846 1.00 1.00 O ATOM 262 ND2 ASN A 21 -14.790 -2.578 17.815 1.00 1.00 N ATOM 0 H ASN A 21 -14.363 1.686 16.192 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.228 -0.155 15.915 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -13.395 0.240 18.007 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -14.946 -0.148 17.290 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -14.715 -3.562 18.071 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -15.708 -2.158 17.670 1.00 1.00 H new ATOM 269 N SER A 22 -15.018 -1.058 14.373 1.00 1.00 N ATOM 270 CA SER A 22 -15.533 -1.931 13.309 1.00 1.00 C ATOM 271 C SER A 22 -14.781 -1.706 11.988 1.00 1.00 C ATOM 272 O SER A 22 -14.359 -2.664 11.344 1.00 1.00 O ATOM 273 CB SER A 22 -17.039 -1.704 13.147 1.00 1.00 C ATOM 274 OG SER A 22 -17.558 -2.550 12.136 1.00 1.00 O ATOM 0 H SER A 22 -15.709 -0.402 14.738 1.00 1.00 H new ATOM 0 HA SER A 22 -15.365 -2.970 13.591 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.547 -1.901 14.091 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.231 -0.662 12.893 1.00 1.00 H new ATOM 0 HG SER A 22 -18.521 -2.396 12.043 1.00 1.00 H new ATOM 280 N LEU A 23 -14.536 -0.446 11.606 1.00 1.00 N ATOM 281 CA LEU A 23 -13.777 -0.066 10.408 1.00 1.00 C ATOM 282 C LEU A 23 -12.340 -0.609 10.436 1.00 1.00 C ATOM 283 O LEU A 23 -11.865 -1.116 9.418 1.00 1.00 O ATOM 284 CB LEU A 23 -13.825 1.472 10.294 1.00 1.00 C ATOM 285 CG LEU A 23 -13.213 2.069 9.017 1.00 1.00 C ATOM 286 CD1 LEU A 23 -14.000 1.657 7.773 1.00 1.00 C ATOM 287 CD2 LEU A 23 -13.253 3.595 9.115 1.00 1.00 C ATOM 0 H LEU A 23 -14.869 0.359 12.136 1.00 1.00 H new ATOM 0 HA LEU A 23 -14.228 -0.514 9.523 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.866 1.790 10.358 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -13.309 1.897 11.155 1.00 1.00 H new ATOM 0 HG LEU A 23 -12.191 1.700 8.929 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -13.539 2.097 6.889 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.995 0.571 7.682 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -15.028 2.009 7.860 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.821 4.029 8.213 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -14.286 3.926 9.218 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.680 3.919 9.984 1.00 1.00 H new ATOM 299 N ILE A 24 -11.672 -0.550 11.593 1.00 1.00 N ATOM 300 CA ILE A 24 -10.329 -1.109 11.799 1.00 1.00 C ATOM 301 C ILE A 24 -10.368 -2.636 11.635 1.00 1.00 C ATOM 302 O ILE A 24 -9.570 -3.187 10.880 1.00 1.00 O ATOM 303 CB ILE A 24 -9.776 -0.696 13.187 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.411 0.807 13.214 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.539 -1.532 13.565 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.225 1.354 14.638 1.00 1.00 C ATOM 0 H ILE A 24 -12.055 -0.105 12.427 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.652 -0.706 11.046 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.564 -0.883 13.917 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.492 0.962 12.648 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.195 1.375 12.712 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.174 -1.219 14.543 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.810 -2.587 13.599 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.757 -1.382 12.821 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.970 2.413 14.591 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.150 1.228 15.200 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.422 0.810 15.135 1.00 1.00 H new ATOM 318 N ARG A 25 -11.300 -3.328 12.309 1.00 1.00 N ATOM 319 CA ARG A 25 -11.450 -4.797 12.252 1.00 1.00 C ATOM 320 C ARG A 25 -11.765 -5.315 10.844 1.00 1.00 C ATOM 321 O ARG A 25 -11.176 -6.303 10.408 1.00 1.00 O ATOM 322 CB ARG A 25 -12.522 -5.251 13.256 1.00 1.00 C ATOM 323 CG ARG A 25 -12.048 -5.128 14.706 1.00 1.00 C ATOM 324 CD ARG A 25 -13.167 -5.385 15.725 1.00 1.00 C ATOM 325 NE ARG A 25 -13.621 -6.794 15.711 1.00 1.00 N ATOM 326 CZ ARG A 25 -14.729 -7.288 15.185 1.00 1.00 C ATOM 327 NH1 ARG A 25 -15.611 -6.545 14.578 1.00 1.00 N ATOM 328 NH2 ARG A 25 -14.975 -8.564 15.258 1.00 1.00 N ATOM 0 H ARG A 25 -11.983 -2.879 12.919 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.488 -5.230 12.524 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -13.422 -4.652 13.118 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -12.793 -6.287 13.051 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -11.237 -5.835 14.879 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -11.640 -4.130 14.866 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -12.813 -5.129 16.724 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -14.011 -4.731 15.508 1.00 1.00 H new ATOM 0 HE ARG A 25 -13.002 -7.467 16.163 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -15.460 -5.540 14.494 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -16.452 -6.969 14.187 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -14.312 -9.185 15.722 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -15.830 -8.943 14.851 1.00 1.00 H new ATOM 342 N GLU A 26 -12.656 -4.640 10.117 1.00 1.00 N ATOM 343 CA GLU A 26 -13.032 -4.985 8.735 1.00 1.00 C ATOM 344 C GLU A 26 -11.900 -4.740 7.713 1.00 1.00 C ATOM 345 O GLU A 26 -11.966 -5.247 6.591 1.00 1.00 O ATOM 346 CB GLU A 26 -14.287 -4.191 8.327 1.00 1.00 C ATOM 347 CG GLU A 26 -15.573 -4.674 9.016 1.00 1.00 C ATOM 348 CD GLU A 26 -16.030 -6.047 8.486 1.00 1.00 C ATOM 349 OE1 GLU A 26 -16.747 -6.096 7.456 1.00 1.00 O ATOM 350 OE2 GLU A 26 -15.687 -7.088 9.096 1.00 1.00 O ATOM 0 H GLU A 26 -13.149 -3.822 10.474 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.236 -6.056 8.721 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.133 -3.138 8.562 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.415 -4.261 7.247 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.406 -4.737 10.091 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -16.366 -3.942 8.859 1.00 1.00 H new ATOM 357 N ASN A 27 -10.863 -3.983 8.088 1.00 1.00 N ATOM 358 CA ASN A 27 -9.709 -3.634 7.249 1.00 1.00 C ATOM 359 C ASN A 27 -8.368 -3.874 7.977 1.00 1.00 C ATOM 360 O ASN A 27 -7.413 -3.111 7.811 1.00 1.00 O ATOM 361 CB ASN A 27 -9.865 -2.178 6.779 1.00 1.00 C ATOM 362 CG ASN A 27 -11.110 -1.941 5.946 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.145 -2.194 4.750 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.165 -1.448 6.553 1.00 1.00 N ATOM 0 H ASN A 27 -10.801 -3.580 9.023 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.687 -4.289 6.378 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.891 -1.524 7.651 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -8.988 -1.897 6.196 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -13.021 -1.274 6.027 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.128 -1.240 7.551 1.00 1.00 H new ATOM 371 N SER A 28 -8.289 -4.924 8.804 1.00 1.00 N ATOM 372 CA SER A 28 -7.112 -5.280 9.621 1.00 1.00 C ATOM 373 C SER A 28 -5.787 -5.419 8.851 1.00 1.00 C ATOM 374 O SER A 28 -4.707 -5.321 9.440 1.00 1.00 O ATOM 375 CB SER A 28 -7.398 -6.560 10.413 1.00 1.00 C ATOM 376 OG SER A 28 -7.659 -7.647 9.536 1.00 1.00 O ATOM 0 H SER A 28 -9.066 -5.573 8.930 1.00 1.00 H new ATOM 0 HA SER A 28 -6.960 -4.431 10.287 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.546 -6.797 11.050 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.253 -6.403 11.070 1.00 1.00 H new ATOM 0 HG SER A 28 -7.837 -8.455 10.061 1.00 1.00 H new ATOM 382 N HIS A 29 -5.847 -5.615 7.531 1.00 1.00 N ATOM 383 CA HIS A 29 -4.697 -5.700 6.624 1.00 1.00 C ATOM 384 C HIS A 29 -4.041 -4.338 6.331 1.00 1.00 C ATOM 385 O HIS A 29 -2.878 -4.311 5.919 1.00 1.00 O ATOM 386 CB HIS A 29 -5.148 -6.383 5.320 1.00 1.00 C ATOM 387 CG HIS A 29 -6.220 -5.643 4.546 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.493 -5.308 5.023 1.00 1.00 N ATOM 389 CD2 HIS A 29 -6.112 -5.220 3.254 1.00 1.00 C ATOM 390 CE1 HIS A 29 -8.116 -4.684 4.008 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.308 -4.614 2.937 1.00 1.00 N ATOM 0 H HIS A 29 -6.736 -5.724 7.043 1.00 1.00 H new ATOM 0 HA HIS A 29 -3.927 -6.290 7.120 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.279 -6.511 4.675 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.517 -7.380 5.559 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.256 -5.337 2.606 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -9.123 -4.295 4.048 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.540 -4.185 2.041 1.00 1.00 H new ATOM 399 N ILE A 30 -4.749 -3.219 6.550 1.00 1.00 N ATOM 400 CA ILE A 30 -4.281 -1.841 6.286 1.00 1.00 C ATOM 401 C ILE A 30 -4.504 -0.840 7.434 1.00 1.00 C ATOM 402 O ILE A 30 -3.804 0.171 7.488 1.00 1.00 O ATOM 403 CB ILE A 30 -4.893 -1.281 4.980 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.438 -1.351 4.982 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.271 -1.979 3.760 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.116 -0.697 3.774 1.00 1.00 C ATOM 0 H ILE A 30 -5.696 -3.245 6.929 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.200 -1.943 6.185 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.648 -0.221 4.916 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.739 -2.398 5.027 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.807 -0.874 5.890 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.710 -1.576 2.847 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.195 -1.807 3.752 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.467 -3.050 3.815 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.198 -0.797 3.865 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -6.851 0.360 3.736 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -6.782 -1.188 2.860 1.00 1.00 H new ATOM 418 N PHE A 31 -5.426 -1.109 8.360 1.00 1.00 N ATOM 419 CA PHE A 31 -5.728 -0.267 9.526 1.00 1.00 C ATOM 420 C PHE A 31 -5.529 -1.075 10.818 1.00 1.00 C ATOM 421 O PHE A 31 -5.733 -2.292 10.848 1.00 1.00 O ATOM 422 CB PHE A 31 -7.190 0.224 9.478 1.00 1.00 C ATOM 423 CG PHE A 31 -7.692 0.977 8.253 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.829 1.663 7.375 1.00 1.00 C ATOM 425 CD2 PHE A 31 -9.078 0.992 8.003 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.339 2.270 6.211 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.590 1.601 6.845 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.717 2.221 5.938 1.00 1.00 C ATOM 0 H PHE A 31 -6.005 -1.948 8.320 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.055 0.590 9.508 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.831 -0.648 9.610 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.346 0.868 10.343 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.773 1.723 7.595 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.754 0.531 8.708 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.671 2.773 5.528 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.653 1.592 6.653 1.00 1.00 H new ATOM 0 HZ PHE A 31 -9.104 2.660 5.030 1.00 1.00 H new ATOM 438 N SER A 32 -5.162 -0.397 11.901 1.00 1.00 N ATOM 439 CA SER A 32 -4.972 -0.985 13.234 1.00 1.00 C ATOM 440 C SER A 32 -5.164 0.062 14.336 1.00 1.00 C ATOM 441 O SER A 32 -5.213 1.267 14.073 1.00 1.00 O ATOM 442 CB SER A 32 -3.586 -1.634 13.346 1.00 1.00 C ATOM 443 OG SER A 32 -2.566 -0.658 13.340 1.00 1.00 O ATOM 0 H SER A 32 -4.982 0.607 11.881 1.00 1.00 H new ATOM 0 HA SER A 32 -5.730 -1.757 13.368 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.528 -2.219 14.264 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.437 -2.326 12.517 1.00 1.00 H new ATOM 0 HG SER A 32 -2.743 -0.005 12.631 1.00 1.00 H new ATOM 449 N ASP A 33 -5.250 -0.386 15.589 1.00 1.00 N ATOM 450 CA ASP A 33 -5.398 0.489 16.759 1.00 1.00 C ATOM 451 C ASP A 33 -4.206 1.447 16.982 1.00 1.00 C ATOM 452 O ASP A 33 -4.333 2.399 17.756 1.00 1.00 O ATOM 453 CB ASP A 33 -5.605 -0.371 18.014 1.00 1.00 C ATOM 454 CG ASP A 33 -7.008 -0.985 18.052 1.00 1.00 C ATOM 455 OD1 ASP A 33 -7.957 -0.250 18.412 1.00 1.00 O ATOM 456 OD2 ASP A 33 -7.156 -2.190 17.736 1.00 1.00 O ATOM 0 H ASP A 33 -5.219 -1.378 15.826 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.266 1.120 16.565 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -4.859 -1.165 18.039 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -5.450 0.239 18.904 1.00 1.00 H new ATOM 461 N THR A 34 -3.058 1.201 16.336 1.00 1.00 N ATOM 462 CA THR A 34 -1.815 1.977 16.507 1.00 1.00 C ATOM 463 C THR A 34 -1.122 2.420 15.211 1.00 1.00 C ATOM 464 O THR A 34 -0.086 3.079 15.290 1.00 1.00 O ATOM 465 CB THR A 34 -0.807 1.214 17.389 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.529 -0.057 16.834 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.320 0.999 18.816 1.00 1.00 C ATOM 0 H THR A 34 -2.962 0.440 15.664 1.00 1.00 H new ATOM 0 HA THR A 34 -2.144 2.895 16.993 1.00 1.00 H new ATOM 0 HB THR A 34 0.091 1.831 17.426 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.114 -0.529 17.404 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.571 0.457 19.394 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.510 1.965 19.284 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.244 0.422 18.787 1.00 1.00 H new ATOM 475 N GLN A 35 -1.654 2.117 14.018 1.00 1.00 N ATOM 476 CA GLN A 35 -1.055 2.524 12.733 1.00 1.00 C ATOM 477 C GLN A 35 -2.028 2.411 11.540 1.00 1.00 C ATOM 478 O GLN A 35 -2.809 1.460 11.456 1.00 1.00 O ATOM 479 CB GLN A 35 0.176 1.623 12.466 1.00 1.00 C ATOM 480 CG GLN A 35 1.057 2.070 11.286 1.00 1.00 C ATOM 481 CD GLN A 35 2.270 1.159 11.082 1.00 1.00 C ATOM 482 OE1 GLN A 35 2.184 -0.063 11.086 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.450 1.708 10.884 1.00 1.00 N ATOM 0 H GLN A 35 -2.515 1.581 13.914 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.782 3.576 12.817 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.788 1.591 13.367 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.169 0.606 12.279 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.459 2.083 10.375 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.398 3.091 11.458 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.545 2.724 10.877 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.269 1.118 10.738 1.00 1.00 H new ATOM 492 N CYS A 36 -1.911 3.330 10.576 1.00 1.00 N ATOM 493 CA CYS A 36 -2.641 3.317 9.297 1.00 1.00 C ATOM 494 C CYS A 36 -1.630 3.191 8.146 1.00 1.00 C ATOM 495 O CYS A 36 -0.809 4.091 7.944 1.00 1.00 O ATOM 496 CB CYS A 36 -3.470 4.601 9.134 1.00 1.00 C ATOM 497 SG CYS A 36 -4.367 4.701 7.555 1.00 1.00 S ATOM 0 H CYS A 36 -1.286 4.131 10.664 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.325 2.468 9.282 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.187 4.666 9.953 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.808 5.463 9.220 1.00 1.00 H new ATOM 0 HG CYS A 36 -4.185 5.874 7.026 1.00 1.00 H new ATOM 502 N LYS A 37 -1.668 2.090 7.381 1.00 1.00 N ATOM 503 CA LYS A 37 -0.741 1.840 6.257 1.00 1.00 C ATOM 504 C LYS A 37 -1.034 2.689 5.018 1.00 1.00 C ATOM 505 O LYS A 37 -0.094 3.145 4.373 1.00 1.00 O ATOM 506 CB LYS A 37 -0.764 0.358 5.857 1.00 1.00 C ATOM 507 CG LYS A 37 -0.377 -0.590 7.001 1.00 1.00 C ATOM 508 CD LYS A 37 -0.200 -2.003 6.436 1.00 1.00 C ATOM 509 CE LYS A 37 -0.108 -3.045 7.556 1.00 1.00 C ATOM 510 NZ LYS A 37 -0.195 -4.422 7.005 1.00 1.00 N ATOM 0 H LYS A 37 -2.345 1.341 7.522 1.00 1.00 H new ATOM 0 HA LYS A 37 0.245 2.126 6.624 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.763 0.100 5.504 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.081 0.204 5.021 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.546 -0.254 7.473 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.148 -0.586 7.771 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -1.038 -2.243 5.782 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.702 -2.042 5.825 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.831 -2.923 8.096 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -0.912 -2.885 8.275 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -0.063 -5.112 7.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -1.129 -4.563 6.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.546 -4.556 6.287 1.00 1.00 H new ATOM 524 N VAL A 38 -2.312 2.938 4.699 1.00 1.00 N ATOM 525 CA VAL A 38 -2.723 3.766 3.537 1.00 1.00 C ATOM 526 C VAL A 38 -2.122 5.172 3.621 1.00 1.00 C ATOM 527 O VAL A 38 -1.671 5.723 2.618 1.00 1.00 O ATOM 528 CB VAL A 38 -4.260 3.849 3.413 1.00 1.00 C ATOM 529 CG1 VAL A 38 -4.714 4.762 2.268 1.00 1.00 C ATOM 530 CG2 VAL A 38 -4.856 2.462 3.153 1.00 1.00 C ATOM 0 H VAL A 38 -3.099 2.573 5.236 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.338 3.277 2.642 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.611 4.261 4.359 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -5.803 4.782 2.229 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.338 5.771 2.437 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.324 4.383 1.324 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -5.940 2.542 3.069 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.449 2.059 2.226 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.604 1.797 3.979 1.00 1.00 H new ATOM 540 N CYS A 39 -2.083 5.734 4.830 1.00 1.00 N ATOM 541 CA CYS A 39 -1.530 7.050 5.134 1.00 1.00 C ATOM 542 C CYS A 39 -0.121 6.966 5.761 1.00 1.00 C ATOM 543 O CYS A 39 0.408 7.983 6.212 1.00 1.00 O ATOM 544 CB CYS A 39 -2.549 7.738 6.041 1.00 1.00 C ATOM 545 SG CYS A 39 -4.223 7.817 5.333 1.00 1.00 S ATOM 0 H CYS A 39 -2.452 5.263 5.657 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.377 7.631 4.225 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.591 7.208 6.993 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.206 8.750 6.255 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.090 7.439 6.225 1.00 1.00 H new ATOM 550 N SER A 40 0.463 5.756 5.785 1.00 1.00 N ATOM 551 CA SER A 40 1.771 5.366 6.342 1.00 1.00 C ATOM 552 C SER A 40 2.190 6.174 7.581 1.00 1.00 C ATOM 553 O SER A 40 3.256 6.796 7.623 1.00 1.00 O ATOM 554 CB SER A 40 2.841 5.318 5.236 1.00 1.00 C ATOM 555 OG SER A 40 3.004 6.564 4.572 1.00 1.00 O ATOM 0 H SER A 40 -0.012 4.951 5.377 1.00 1.00 H new ATOM 0 HA SER A 40 1.664 4.353 6.730 1.00 1.00 H new ATOM 0 HB2 SER A 40 3.794 5.016 5.671 1.00 1.00 H new ATOM 0 HB3 SER A 40 2.568 4.556 4.506 1.00 1.00 H new ATOM 0 HG SER A 40 3.695 6.479 3.882 1.00 1.00 H new ATOM 561 N ALA A 41 1.312 6.177 8.588 1.00 1.00 N ATOM 562 CA ALA A 41 1.468 6.939 9.829 1.00 1.00 C ATOM 563 C ALA A 41 1.084 6.136 11.081 1.00 1.00 C ATOM 564 O ALA A 41 0.156 5.322 11.066 1.00 1.00 O ATOM 565 CB ALA A 41 0.622 8.216 9.717 1.00 1.00 C ATOM 0 H ALA A 41 0.449 5.634 8.561 1.00 1.00 H new ATOM 0 HA ALA A 41 2.523 7.185 9.951 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.723 8.801 10.631 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.966 8.807 8.869 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.424 7.948 9.571 1.00 1.00 H new ATOM 571 N VAL A 42 1.797 6.399 12.179 1.00 1.00 N ATOM 572 CA VAL A 42 1.587 5.773 13.496 1.00 1.00 C ATOM 573 C VAL A 42 0.545 6.574 14.291 1.00 1.00 C ATOM 574 O VAL A 42 0.400 7.786 14.125 1.00 1.00 O ATOM 575 CB VAL A 42 2.932 5.669 14.254 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.817 5.020 15.640 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.940 4.823 13.459 1.00 1.00 C ATOM 0 H VAL A 42 2.562 7.074 12.181 1.00 1.00 H new ATOM 0 HA VAL A 42 1.203 4.761 13.365 1.00 1.00 H new ATOM 0 HB VAL A 42 3.261 6.701 14.372 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.801 4.983 16.107 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.141 5.607 16.262 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.427 4.008 15.536 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.879 4.763 14.010 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.539 3.820 13.314 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.118 5.286 12.488 1.00 1.00 H new ATOM 587 N LEU A 43 -0.197 5.876 15.151 1.00 1.00 N ATOM 588 CA LEU A 43 -1.313 6.366 15.963 1.00 1.00 C ATOM 589 C LEU A 43 -1.044 6.037 17.441 1.00 1.00 C ATOM 590 O LEU A 43 -1.607 5.106 18.015 1.00 1.00 O ATOM 591 CB LEU A 43 -2.622 5.762 15.398 1.00 1.00 C ATOM 592 CG LEU A 43 -2.880 6.086 13.910 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.025 5.242 13.355 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.198 7.567 13.715 1.00 1.00 C ATOM 0 H LEU A 43 -0.022 4.884 15.310 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.419 7.450 15.915 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.592 4.680 15.522 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.462 6.128 15.989 1.00 1.00 H new ATOM 0 HG LEU A 43 -1.967 5.847 13.365 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.185 5.491 12.306 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.774 4.185 13.443 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.935 5.447 13.919 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.375 7.765 12.658 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -4.089 7.826 14.287 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.357 8.168 14.061 1.00 1.00 H new ATOM 606 N ILE A 44 -0.110 6.788 18.037 1.00 1.00 N ATOM 607 CA ILE A 44 0.412 6.629 19.412 1.00 1.00 C ATOM 608 C ILE A 44 -0.620 6.648 20.562 1.00 1.00 C ATOM 609 O ILE A 44 -0.279 6.285 21.689 1.00 1.00 O ATOM 610 CB ILE A 44 1.530 7.666 19.682 1.00 1.00 C ATOM 611 CG1 ILE A 44 1.004 9.120 19.612 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.712 7.438 18.720 1.00 1.00 C ATOM 613 CD1 ILE A 44 2.036 10.173 20.039 1.00 1.00 C ATOM 0 H ILE A 44 0.331 7.569 17.551 1.00 1.00 H new ATOM 0 HA ILE A 44 0.798 5.610 19.426 1.00 1.00 H new ATOM 0 HB ILE A 44 1.886 7.519 20.702 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.683 9.332 18.592 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.123 9.209 20.248 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.491 8.174 18.920 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.113 6.435 18.868 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.369 7.544 17.691 1.00 1.00 H new ATOM 0 HD11 ILE A 44 1.595 11.167 19.963 1.00 1.00 H new ATOM 0 HD12 ILE A 44 2.339 9.988 21.069 1.00 1.00 H new ATOM 0 HD13 ILE A 44 2.908 10.113 19.388 1.00 1.00 H new ATOM 625 N SER A 45 -1.867 7.054 20.306 1.00 1.00 N ATOM 626 CA SER A 45 -2.957 7.109 21.292 1.00 1.00 C ATOM 627 C SER A 45 -4.320 6.941 20.612 1.00 1.00 C ATOM 628 O SER A 45 -4.476 7.249 19.427 1.00 1.00 O ATOM 629 CB SER A 45 -2.897 8.451 22.035 1.00 1.00 C ATOM 630 OG SER A 45 -3.894 8.523 23.042 1.00 1.00 O ATOM 0 H SER A 45 -2.158 7.364 19.379 1.00 1.00 H new ATOM 0 HA SER A 45 -2.834 6.290 22.001 1.00 1.00 H new ATOM 0 HB2 SER A 45 -1.912 8.577 22.485 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.032 9.269 21.327 1.00 1.00 H new ATOM 0 HG SER A 45 -3.833 9.387 23.501 1.00 1.00 H new ATOM 636 N GLU A 46 -5.331 6.490 21.358 1.00 1.00 N ATOM 637 CA GLU A 46 -6.701 6.318 20.859 1.00 1.00 C ATOM 638 C GLU A 46 -7.278 7.621 20.289 1.00 1.00 C ATOM 639 O GLU A 46 -7.916 7.588 19.242 1.00 1.00 O ATOM 640 CB GLU A 46 -7.584 5.738 21.971 1.00 1.00 C ATOM 641 CG GLU A 46 -9.012 5.471 21.481 1.00 1.00 C ATOM 642 CD GLU A 46 -9.665 4.347 22.296 1.00 1.00 C ATOM 643 OE1 GLU A 46 -9.518 3.169 21.888 1.00 1.00 O ATOM 644 OE2 GLU A 46 -10.340 4.635 23.313 1.00 1.00 O ATOM 0 H GLU A 46 -5.222 6.230 22.338 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.679 5.613 20.028 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -7.145 4.810 22.337 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.612 6.431 22.812 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.607 6.381 21.566 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -8.995 5.199 20.426 1.00 1.00 H new ATOM 651 N SER A 47 -7.015 8.777 20.907 1.00 1.00 N ATOM 652 CA SER A 47 -7.485 10.067 20.375 1.00 1.00 C ATOM 653 C SER A 47 -6.898 10.366 18.989 1.00 1.00 C ATOM 654 O SER A 47 -7.605 10.888 18.125 1.00 1.00 O ATOM 655 CB SER A 47 -7.168 11.220 21.327 1.00 1.00 C ATOM 656 OG SER A 47 -7.680 10.956 22.627 1.00 1.00 O ATOM 0 H SER A 47 -6.481 8.849 21.773 1.00 1.00 H new ATOM 0 HA SER A 47 -8.567 9.980 20.279 1.00 1.00 H new ATOM 0 HB2 SER A 47 -6.089 11.369 21.379 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.599 12.144 20.942 1.00 1.00 H new ATOM 0 HG SER A 47 -7.465 11.705 23.221 1.00 1.00 H new ATOM 662 N GLN A 48 -5.638 9.977 18.734 1.00 1.00 N ATOM 663 CA GLN A 48 -5.022 10.109 17.406 1.00 1.00 C ATOM 664 C GLN A 48 -5.690 9.141 16.426 1.00 1.00 C ATOM 665 O GLN A 48 -6.014 9.539 15.309 1.00 1.00 O ATOM 666 CB GLN A 48 -3.506 9.831 17.432 1.00 1.00 C ATOM 667 CG GLN A 48 -2.689 10.780 18.319 1.00 1.00 C ATOM 668 CD GLN A 48 -2.830 12.258 17.945 1.00 1.00 C ATOM 669 OE1 GLN A 48 -2.910 12.641 16.785 1.00 1.00 O ATOM 670 NE2 GLN A 48 -2.868 13.153 18.911 1.00 1.00 N ATOM 0 H GLN A 48 -5.023 9.566 19.437 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.168 11.141 17.086 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.345 8.809 17.774 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.123 9.890 16.413 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -2.997 10.647 19.356 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -1.637 10.500 18.261 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -2.803 12.856 19.885 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -2.963 14.143 18.685 1.00 1.00 H new ATOM 679 N LYS A 49 -5.934 7.886 16.839 1.00 1.00 N ATOM 680 CA LYS A 49 -6.609 6.875 16.007 1.00 1.00 C ATOM 681 C LYS A 49 -8.005 7.351 15.588 1.00 1.00 C ATOM 682 O LYS A 49 -8.333 7.326 14.405 1.00 1.00 O ATOM 683 CB LYS A 49 -6.572 5.494 16.721 1.00 1.00 C ATOM 684 CG LYS A 49 -7.927 4.883 17.124 1.00 1.00 C ATOM 685 CD LYS A 49 -7.792 3.590 17.939 1.00 1.00 C ATOM 686 CE LYS A 49 -9.200 3.145 18.346 1.00 1.00 C ATOM 687 NZ LYS A 49 -9.203 2.038 19.335 1.00 1.00 N ATOM 0 H LYS A 49 -5.668 7.543 17.762 1.00 1.00 H new ATOM 0 HA LYS A 49 -6.073 6.739 15.068 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -6.062 4.787 16.067 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.963 5.593 17.620 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.488 5.614 17.706 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.507 4.678 16.224 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.302 2.816 17.349 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -7.174 3.757 18.821 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.736 3.997 18.763 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.745 2.830 17.456 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -10.132 1.571 19.330 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.467 1.347 19.085 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.012 2.419 20.284 1.00 1.00 H new ATOM 701 N LEU A 50 -8.791 7.858 16.540 1.00 1.00 N ATOM 702 CA LEU A 50 -10.132 8.391 16.297 1.00 1.00 C ATOM 703 C LEU A 50 -10.078 9.580 15.327 1.00 1.00 C ATOM 704 O LEU A 50 -10.754 9.559 14.299 1.00 1.00 O ATOM 705 CB LEU A 50 -10.807 8.752 17.638 1.00 1.00 C ATOM 706 CG LEU A 50 -11.202 7.546 18.519 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.964 8.027 19.753 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.095 6.528 17.810 1.00 1.00 C ATOM 0 H LEU A 50 -8.508 7.910 17.519 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.743 7.626 15.818 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -10.131 9.391 18.206 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.702 9.339 17.430 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.262 7.058 18.776 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -12.238 7.170 20.368 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -11.332 8.701 20.331 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.866 8.554 19.441 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.329 5.711 18.493 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -13.019 7.012 17.493 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.575 6.133 16.937 1.00 1.00 H new ATOM 720 N ALA A 51 -9.238 10.583 15.599 1.00 1.00 N ATOM 721 CA ALA A 51 -9.080 11.740 14.718 1.00 1.00 C ATOM 722 C ALA A 51 -8.599 11.365 13.306 1.00 1.00 C ATOM 723 O ALA A 51 -9.089 11.930 12.330 1.00 1.00 O ATOM 724 CB ALA A 51 -8.136 12.745 15.388 1.00 1.00 C ATOM 0 H ALA A 51 -8.651 10.614 16.433 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.061 12.193 14.573 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.010 13.613 14.741 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.559 13.062 16.341 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.167 12.276 15.559 1.00 1.00 H new ATOM 730 N HIS A 52 -7.673 10.410 13.170 1.00 1.00 N ATOM 731 CA HIS A 52 -7.158 9.972 11.874 1.00 1.00 C ATOM 732 C HIS A 52 -8.225 9.240 11.045 1.00 1.00 C ATOM 733 O HIS A 52 -8.477 9.620 9.902 1.00 1.00 O ATOM 734 CB HIS A 52 -5.924 9.089 12.095 1.00 1.00 C ATOM 735 CG HIS A 52 -5.189 8.796 10.814 1.00 1.00 C ATOM 736 ND1 HIS A 52 -4.037 9.418 10.381 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.572 7.921 9.833 1.00 1.00 C ATOM 738 CE1 HIS A 52 -3.740 8.940 9.162 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.655 8.032 8.786 1.00 1.00 N ATOM 0 H HIS A 52 -7.259 9.918 13.962 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.875 10.853 11.299 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.248 9.583 12.793 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.230 8.151 12.557 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.504 10.118 10.896 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.428 7.264 9.864 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -2.889 9.242 8.570 1.00 1.00 H new ATOM 747 N TYR A 53 -8.901 8.235 11.615 1.00 1.00 N ATOM 748 CA TYR A 53 -9.957 7.480 10.922 1.00 1.00 C ATOM 749 C TYR A 53 -11.206 8.326 10.597 1.00 1.00 C ATOM 750 O TYR A 53 -11.995 7.947 9.731 1.00 1.00 O ATOM 751 CB TYR A 53 -10.264 6.175 11.678 1.00 1.00 C ATOM 752 CG TYR A 53 -9.097 5.191 11.688 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.523 4.766 10.473 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.562 4.712 12.901 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.398 3.920 10.466 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.433 3.869 12.904 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.845 3.475 11.684 1.00 1.00 C ATOM 758 OH TYR A 53 -5.756 2.661 11.681 1.00 1.00 O ATOM 0 H TYR A 53 -8.732 7.921 12.571 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.576 7.201 9.939 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.536 6.415 12.706 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -11.130 5.695 11.223 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -8.951 5.093 9.537 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -9.022 4.994 13.837 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -6.959 3.612 9.529 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -7.018 3.525 13.840 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.628 2.282 12.576 1.00 1.00 H new ATOM 768 N GLN A 54 -11.373 9.484 11.250 1.00 1.00 N ATOM 769 CA GLN A 54 -12.452 10.453 11.001 1.00 1.00 C ATOM 770 C GLN A 54 -11.982 11.682 10.180 1.00 1.00 C ATOM 771 O GLN A 54 -12.799 12.545 9.848 1.00 1.00 O ATOM 772 CB GLN A 54 -13.075 10.885 12.339 1.00 1.00 C ATOM 773 CG GLN A 54 -13.768 9.727 13.076 1.00 1.00 C ATOM 774 CD GLN A 54 -14.414 10.211 14.368 1.00 1.00 C ATOM 775 OE1 GLN A 54 -13.790 10.365 15.409 1.00 1.00 O ATOM 776 NE2 GLN A 54 -15.702 10.474 14.345 1.00 1.00 N ATOM 0 H GLN A 54 -10.740 9.783 11.992 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.207 9.957 10.391 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.297 11.303 12.978 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -13.799 11.679 12.158 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.526 9.282 12.431 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.041 8.946 13.299 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -16.233 10.349 13.483 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -16.171 10.803 15.189 1.00 1.00 H new ATOM 785 N SER A 55 -10.691 11.784 9.837 1.00 1.00 N ATOM 786 CA SER A 55 -10.119 12.889 9.048 1.00 1.00 C ATOM 787 C SER A 55 -10.538 12.847 7.574 1.00 1.00 C ATOM 788 O SER A 55 -10.424 11.817 6.907 1.00 1.00 O ATOM 789 CB SER A 55 -8.587 12.859 9.110 1.00 1.00 C ATOM 790 OG SER A 55 -8.049 13.907 8.315 1.00 1.00 O ATOM 0 H SER A 55 -9.998 11.086 10.105 1.00 1.00 H new ATOM 0 HA SER A 55 -10.507 13.806 9.492 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.254 12.967 10.142 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.219 11.896 8.755 1.00 1.00 H new ATOM 0 HG SER A 55 -7.070 13.883 8.361 1.00 1.00 H new ATOM 796 N ARG A 56 -10.953 13.996 7.028 1.00 1.00 N ATOM 797 CA ARG A 56 -11.338 14.181 5.614 1.00 1.00 C ATOM 798 C ARG A 56 -10.235 13.743 4.633 1.00 1.00 C ATOM 799 O ARG A 56 -10.531 13.240 3.545 1.00 1.00 O ATOM 800 CB ARG A 56 -11.763 15.656 5.450 1.00 1.00 C ATOM 801 CG ARG A 56 -12.643 15.973 4.233 1.00 1.00 C ATOM 802 CD ARG A 56 -11.866 16.263 2.948 1.00 1.00 C ATOM 803 NE ARG A 56 -12.792 16.718 1.898 1.00 1.00 N ATOM 804 CZ ARG A 56 -12.511 17.283 0.743 1.00 1.00 C ATOM 805 NH1 ARG A 56 -11.298 17.429 0.292 1.00 1.00 N ATOM 806 NH2 ARG A 56 -13.505 17.707 0.028 1.00 1.00 N ATOM 0 H ARG A 56 -11.035 14.855 7.572 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.175 13.530 5.359 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -12.298 15.961 6.349 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -10.863 16.268 5.392 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -13.313 15.132 4.056 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -13.268 16.835 4.467 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -11.109 17.025 3.134 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -11.341 15.366 2.619 1.00 1.00 H new ATOM 0 HE ARG A 56 -13.783 16.577 2.091 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -10.506 17.097 0.842 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -11.140 17.875 -0.612 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -14.461 17.597 0.367 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -13.332 18.151 -0.874 1.00 1.00 H new ATOM 820 N LYS A 57 -8.962 13.877 5.026 1.00 1.00 N ATOM 821 CA LYS A 57 -7.789 13.447 4.236 1.00 1.00 C ATOM 822 C LYS A 57 -7.703 11.920 4.115 1.00 1.00 C ATOM 823 O LYS A 57 -7.402 11.410 3.035 1.00 1.00 O ATOM 824 CB LYS A 57 -6.496 14.005 4.863 1.00 1.00 C ATOM 825 CG LYS A 57 -6.438 15.539 4.993 1.00 1.00 C ATOM 826 CD LYS A 57 -6.557 16.273 3.645 1.00 1.00 C ATOM 827 CE LYS A 57 -6.439 17.798 3.794 1.00 1.00 C ATOM 828 NZ LYS A 57 -5.063 18.236 4.153 1.00 1.00 N ATOM 0 H LYS A 57 -8.708 14.296 5.921 1.00 1.00 H new ATOM 0 HA LYS A 57 -7.907 13.847 3.229 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -6.374 13.568 5.854 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -5.648 13.675 4.262 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -7.241 15.871 5.651 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -5.499 15.820 5.470 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -5.779 15.916 2.970 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -7.515 16.029 3.185 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -6.735 18.274 2.859 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -7.136 18.139 4.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -5.032 19.274 4.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -4.800 17.833 5.075 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -4.394 17.907 3.428 1.00 1.00 H new ATOM 842 N HIS A 58 -8.021 11.190 5.191 1.00 1.00 N ATOM 843 CA HIS A 58 -8.042 9.719 5.213 1.00 1.00 C ATOM 844 C HIS A 58 -9.065 9.169 4.212 1.00 1.00 C ATOM 845 O HIS A 58 -8.735 8.262 3.454 1.00 1.00 O ATOM 846 CB HIS A 58 -8.300 9.223 6.646 1.00 1.00 C ATOM 847 CG HIS A 58 -8.346 7.721 6.791 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.244 6.882 6.989 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.481 6.962 6.759 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.745 5.639 7.072 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.083 5.657 6.945 1.00 1.00 N ATOM 0 H HIS A 58 -8.275 11.609 6.085 1.00 1.00 H new ATOM 0 HA HIS A 58 -7.069 9.341 4.900 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.519 9.614 7.298 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -9.245 9.638 6.996 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.491 7.316 6.616 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.154 4.747 7.220 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.698 4.844 6.980 1.00 1.00 H new ATOM 859 N ALA A 59 -10.269 9.755 4.132 1.00 1.00 N ATOM 860 CA ALA A 59 -11.287 9.344 3.155 1.00 1.00 C ATOM 861 C ALA A 59 -10.774 9.449 1.711 1.00 1.00 C ATOM 862 O ALA A 59 -10.908 8.506 0.930 1.00 1.00 O ATOM 863 CB ALA A 59 -12.542 10.215 3.313 1.00 1.00 C ATOM 0 H ALA A 59 -10.562 10.521 4.738 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.526 8.299 3.352 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.293 9.906 2.586 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.942 10.098 4.320 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.283 11.260 3.145 1.00 1.00 H new ATOM 869 N ASN A 60 -10.162 10.584 1.361 1.00 1.00 N ATOM 870 CA ASN A 60 -9.618 10.819 0.023 1.00 1.00 C ATOM 871 C ASN A 60 -8.491 9.829 -0.316 1.00 1.00 C ATOM 872 O ASN A 60 -8.514 9.225 -1.390 1.00 1.00 O ATOM 873 CB ASN A 60 -9.169 12.288 -0.091 1.00 1.00 C ATOM 874 CG ASN A 60 -10.350 13.211 -0.335 1.00 1.00 C ATOM 875 OD1 ASN A 60 -10.693 13.530 -1.465 1.00 1.00 O ATOM 876 ND2 ASN A 60 -11.028 13.662 0.696 1.00 1.00 N ATOM 0 H ASN A 60 -10.030 11.367 2.001 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.398 10.641 -0.718 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -8.656 12.585 0.824 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.452 12.389 -0.906 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -11.832 14.272 0.550 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -10.750 13.402 1.642 1.00 1.00 H new ATOM 883 N LYS A 61 -7.528 9.618 0.593 1.00 1.00 N ATOM 884 CA LYS A 61 -6.424 8.676 0.375 1.00 1.00 C ATOM 885 C LYS A 61 -6.897 7.219 0.283 1.00 1.00 C ATOM 886 O LYS A 61 -6.443 6.493 -0.599 1.00 1.00 O ATOM 887 CB LYS A 61 -5.340 8.889 1.444 1.00 1.00 C ATOM 888 CG LYS A 61 -3.968 8.581 0.842 1.00 1.00 C ATOM 889 CD LYS A 61 -2.847 8.898 1.837 1.00 1.00 C ATOM 890 CE LYS A 61 -1.466 8.534 1.280 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.027 9.439 0.183 1.00 1.00 N ATOM 0 H LYS A 61 -7.493 10.093 1.495 1.00 1.00 H new ATOM 0 HA LYS A 61 -5.982 8.886 -0.599 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.368 9.916 1.807 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -5.527 8.243 2.302 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -3.920 7.530 0.557 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -3.827 9.164 -0.068 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -2.870 9.959 2.084 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.020 8.352 2.764 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -0.734 8.568 2.087 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -1.487 7.508 0.912 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -0.088 9.146 -0.154 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -1.708 9.389 -0.602 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -0.978 10.416 0.537 1.00 1.00 H new ATOM 905 N VAL A 62 -7.850 6.800 1.126 1.00 1.00 N ATOM 906 CA VAL A 62 -8.444 5.451 1.061 1.00 1.00 C ATOM 907 C VAL A 62 -9.182 5.257 -0.260 1.00 1.00 C ATOM 908 O VAL A 62 -8.978 4.238 -0.911 1.00 1.00 O ATOM 909 CB VAL A 62 -9.360 5.175 2.269 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.190 3.890 2.122 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.507 5.008 3.529 1.00 1.00 C ATOM 0 H VAL A 62 -8.232 7.382 1.871 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.635 4.722 1.106 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.039 6.025 2.332 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -10.812 3.756 3.007 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -10.825 3.966 1.240 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.522 3.035 2.015 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.155 4.813 4.384 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -7.821 4.172 3.395 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -7.937 5.920 3.706 1.00 1.00 H new ATOM 1397 N SER A 94 -31.513 8.018 40.123 1.00 1.00 N ATOM 1398 CA SER A 94 -32.345 7.871 41.325 1.00 1.00 C ATOM 1399 C SER A 94 -32.174 6.526 42.055 1.00 1.00 C ATOM 1400 O SER A 94 -32.696 6.373 43.162 1.00 1.00 O ATOM 1401 CB SER A 94 -33.814 8.067 40.936 1.00 1.00 C ATOM 1402 OG SER A 94 -34.178 7.177 39.891 1.00 1.00 O ATOM 0 HA SER A 94 -32.013 8.633 42.031 1.00 1.00 H new ATOM 0 HB2 SER A 94 -34.451 7.897 41.804 1.00 1.00 H new ATOM 0 HB3 SER A 94 -33.977 9.097 40.617 1.00 1.00 H new ATOM 0 HG SER A 94 -33.391 6.976 39.343 1.00 1.00 H new ATOM 1408 N LYS A 95 -31.441 5.560 41.474 1.00 1.00 N ATOM 1409 CA LYS A 95 -31.182 4.231 42.066 1.00 1.00 C ATOM 1410 C LYS A 95 -29.695 3.909 42.214 1.00 1.00 C ATOM 1411 O LYS A 95 -29.329 3.211 43.158 1.00 1.00 O ATOM 1412 CB LYS A 95 -31.830 3.098 41.247 1.00 1.00 C ATOM 1413 CG LYS A 95 -33.303 3.280 40.839 1.00 1.00 C ATOM 1414 CD LYS A 95 -33.420 3.802 39.400 1.00 1.00 C ATOM 1415 CE LYS A 95 -34.865 3.735 38.897 1.00 1.00 C ATOM 1416 NZ LYS A 95 -34.935 4.001 37.438 1.00 1.00 N ATOM 0 H LYS A 95 -31.002 5.681 40.561 1.00 1.00 H new ATOM 0 HA LYS A 95 -31.630 4.286 43.058 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -31.243 2.958 40.339 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -31.750 2.176 41.823 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -33.828 2.329 40.927 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -33.789 3.977 41.522 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -33.065 4.832 39.355 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -32.777 3.214 38.745 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -35.283 2.751 39.111 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -35.474 4.463 39.432 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -35.925 3.950 37.123 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -34.557 4.949 37.240 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -34.372 3.291 36.928 1.00 1.00 H new ATOM 1430 N CYS A 96 -28.843 4.401 41.312 1.00 1.00 N ATOM 1431 CA CYS A 96 -27.398 4.144 41.325 1.00 1.00 C ATOM 1432 C CYS A 96 -26.570 5.396 40.984 1.00 1.00 C ATOM 1433 O CYS A 96 -27.059 6.322 40.337 1.00 1.00 O ATOM 1434 CB CYS A 96 -27.067 3.008 40.338 1.00 1.00 C ATOM 1435 SG CYS A 96 -28.060 1.505 40.588 1.00 1.00 S ATOM 0 H CYS A 96 -29.140 4.998 40.540 1.00 1.00 H new ATOM 0 HA CYS A 96 -27.128 3.851 42.340 1.00 1.00 H new ATOM 0 HB2 CYS A 96 -27.219 3.368 39.320 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -26.011 2.754 40.432 1.00 1.00 H new ATOM 0 HG CYS A 96 -27.715 0.607 39.714 1.00 1.00 H new ATOM 1441 N CYS A 97 -25.299 5.396 41.392 1.00 1.00 N ATOM 1442 CA CYS A 97 -24.326 6.471 41.176 1.00 1.00 C ATOM 1443 C CYS A 97 -22.986 5.886 40.685 1.00 1.00 C ATOM 1444 O CYS A 97 -22.198 5.405 41.508 1.00 1.00 O ATOM 1445 CB CYS A 97 -24.150 7.249 42.487 1.00 1.00 C ATOM 1446 SG CYS A 97 -22.813 8.473 42.501 1.00 1.00 S ATOM 0 H CYS A 97 -24.901 4.610 41.906 1.00 1.00 H new ATOM 0 HA CYS A 97 -24.686 7.153 40.406 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -25.086 7.758 42.714 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -23.972 6.535 43.291 1.00 1.00 H new ATOM 0 HG CYS A 97 -22.102 8.327 43.580 1.00 1.00 H new ATOM 1451 N PRO A 98 -22.686 5.908 39.370 1.00 1.00 N ATOM 1452 CA PRO A 98 -21.433 5.369 38.829 1.00 1.00 C ATOM 1453 C PRO A 98 -20.201 6.220 39.184 1.00 1.00 C ATOM 1454 O PRO A 98 -19.083 5.704 39.171 1.00 1.00 O ATOM 1455 CB PRO A 98 -21.655 5.284 37.315 1.00 1.00 C ATOM 1456 CG PRO A 98 -22.637 6.419 37.041 1.00 1.00 C ATOM 1457 CD PRO A 98 -23.516 6.430 38.291 1.00 1.00 C ATOM 0 HA PRO A 98 -21.210 4.396 39.266 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -20.724 5.416 36.764 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -22.065 4.318 37.022 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -22.124 7.370 36.901 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -23.222 6.237 36.139 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -23.861 7.439 38.517 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -24.404 5.814 38.149 1.00 1.00 H new ATOM 1465 N VAL A 99 -20.388 7.501 39.544 1.00 1.00 N ATOM 1466 CA VAL A 99 -19.317 8.427 39.978 1.00 1.00 C ATOM 1467 C VAL A 99 -18.589 7.890 41.219 1.00 1.00 C ATOM 1468 O VAL A 99 -17.368 8.012 41.326 1.00 1.00 O ATOM 1469 CB VAL A 99 -19.886 9.834 40.260 1.00 1.00 C ATOM 1470 CG1 VAL A 99 -18.829 10.823 40.766 1.00 1.00 C ATOM 1471 CG2 VAL A 99 -20.507 10.444 38.996 1.00 1.00 C ATOM 0 H VAL A 99 -21.310 7.937 39.543 1.00 1.00 H new ATOM 0 HA VAL A 99 -18.596 8.501 39.164 1.00 1.00 H new ATOM 0 HB VAL A 99 -20.636 9.684 41.036 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -19.294 11.793 40.945 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -18.397 10.451 41.695 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -18.043 10.930 40.018 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -20.899 11.435 39.225 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -19.746 10.526 38.220 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -21.317 9.805 38.644 1.00 1.00 H new ATOM 1481 N CYS A 100 -19.343 7.259 42.124 1.00 1.00 N ATOM 1482 CA CYS A 100 -18.865 6.652 43.371 1.00 1.00 C ATOM 1483 C CYS A 100 -18.938 5.111 43.379 1.00 1.00 C ATOM 1484 O CYS A 100 -18.418 4.460 44.287 1.00 1.00 O ATOM 1485 CB CYS A 100 -19.747 7.188 44.500 1.00 1.00 C ATOM 1486 SG CYS A 100 -19.778 8.990 44.676 1.00 1.00 S ATOM 0 H CYS A 100 -20.350 7.152 42.002 1.00 1.00 H new ATOM 0 HA CYS A 100 -17.813 6.912 43.489 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -20.767 6.839 44.338 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -19.407 6.754 45.440 1.00 1.00 H new ATOM 0 HG CYS A 100 -20.977 9.374 45.000 1.00 1.00 H new ATOM 1491 N ASN A 101 -19.625 4.542 42.385 1.00 1.00 N ATOM 1492 CA ASN A 101 -19.935 3.122 42.197 1.00 1.00 C ATOM 1493 C ASN A 101 -20.733 2.543 43.385 1.00 1.00 C ATOM 1494 O ASN A 101 -20.317 1.586 44.045 1.00 1.00 O ATOM 1495 CB ASN A 101 -18.666 2.344 41.792 1.00 1.00 C ATOM 1496 CG ASN A 101 -18.966 0.916 41.355 1.00 1.00 C ATOM 1497 OD1 ASN A 101 -20.015 0.606 40.805 1.00 1.00 O ATOM 1498 ND2 ASN A 101 -18.051 -0.003 41.573 1.00 1.00 N ATOM 0 H ASN A 101 -20.010 5.109 41.629 1.00 1.00 H new ATOM 0 HA ASN A 101 -20.619 3.004 41.357 1.00 1.00 H new ATOM 0 HB2 ASN A 101 -18.166 2.871 40.979 1.00 1.00 H new ATOM 0 HB3 ASN A 101 -17.973 2.324 42.633 1.00 1.00 H new ATOM 0 HD21 ASN A 101 -18.218 -0.967 41.284 1.00 1.00 H new ATOM 0 HD22 ASN A 101 -17.175 0.248 42.031 1.00 1.00 H new ATOM 1505 N MET A 102 -21.887 3.163 43.660 1.00 1.00 N ATOM 1506 CA MET A 102 -22.810 2.815 44.755 1.00 1.00 C ATOM 1507 C MET A 102 -24.284 2.800 44.305 1.00 1.00 C ATOM 1508 O MET A 102 -24.619 3.237 43.202 1.00 1.00 O ATOM 1509 CB MET A 102 -22.627 3.791 45.935 1.00 1.00 C ATOM 1510 CG MET A 102 -21.216 3.758 46.534 1.00 1.00 C ATOM 1511 SD MET A 102 -21.061 4.498 48.188 1.00 1.00 S ATOM 1512 CE MET A 102 -21.613 6.195 47.870 1.00 1.00 C ATOM 0 H MET A 102 -22.219 3.952 43.106 1.00 1.00 H new ATOM 0 HA MET A 102 -22.561 1.803 45.073 1.00 1.00 H new ATOM 0 HB2 MET A 102 -22.848 4.804 45.598 1.00 1.00 H new ATOM 0 HB3 MET A 102 -23.351 3.549 46.713 1.00 1.00 H new ATOM 0 HG2 MET A 102 -20.884 2.721 46.585 1.00 1.00 H new ATOM 0 HG3 MET A 102 -20.538 4.277 45.856 1.00 1.00 H new ATOM 0 HE1 MET A 102 -21.266 6.847 48.672 1.00 1.00 H new ATOM 0 HE2 MET A 102 -21.204 6.539 46.920 1.00 1.00 H new ATOM 0 HE3 MET A 102 -22.702 6.221 47.827 1.00 1.00 H new ATOM 1522 N THR A 103 -25.169 2.308 45.178 1.00 1.00 N ATOM 1523 CA THR A 103 -26.624 2.188 44.958 1.00 1.00 C ATOM 1524 C THR A 103 -27.428 2.756 46.139 1.00 1.00 C ATOM 1525 O THR A 103 -26.899 2.934 47.242 1.00 1.00 O ATOM 1526 CB THR A 103 -27.036 0.726 44.700 1.00 1.00 C ATOM 1527 OG1 THR A 103 -26.792 -0.072 45.842 1.00 1.00 O ATOM 1528 CG2 THR A 103 -26.267 0.094 43.537 1.00 1.00 C ATOM 0 H THR A 103 -24.885 1.967 46.096 1.00 1.00 H new ATOM 0 HA THR A 103 -26.855 2.778 44.071 1.00 1.00 H new ATOM 0 HB THR A 103 -28.098 0.758 44.457 1.00 1.00 H new ATOM 0 HG1 THR A 103 -27.062 -0.996 45.659 1.00 1.00 H new ATOM 0 HG21 THR A 103 -26.597 -0.936 43.399 1.00 1.00 H new ATOM 0 HG22 THR A 103 -26.456 0.660 42.625 1.00 1.00 H new ATOM 0 HG23 THR A 103 -25.200 0.107 43.757 1.00 1.00 H new ATOM 1536 N PHE A 104 -28.710 3.063 45.910 1.00 1.00 N ATOM 1537 CA PHE A 104 -29.633 3.672 46.879 1.00 1.00 C ATOM 1538 C PHE A 104 -30.975 2.925 46.954 1.00 1.00 C ATOM 1539 O PHE A 104 -31.464 2.400 45.951 1.00 1.00 O ATOM 1540 CB PHE A 104 -29.865 5.145 46.504 1.00 1.00 C ATOM 1541 CG PHE A 104 -28.618 5.904 46.088 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -27.611 6.183 47.031 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -28.444 6.291 44.746 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -26.436 6.843 46.632 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -27.281 6.970 44.350 1.00 1.00 C ATOM 1546 CZ PHE A 104 -26.274 7.239 45.293 1.00 1.00 C ATOM 0 H PHE A 104 -29.152 2.887 45.008 1.00 1.00 H new ATOM 0 HA PHE A 104 -29.176 3.605 47.866 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -30.587 5.188 45.689 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -30.315 5.655 47.356 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -27.741 5.890 48.062 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -29.209 6.065 44.018 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -25.658 7.046 47.353 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -27.160 7.285 43.324 1.00 1.00 H new ATOM 0 HZ PHE A 104 -25.373 7.751 44.988 1.00 1.00 H new ATOM 1556 N SER A 105 -31.589 2.894 48.141 1.00 1.00 N ATOM 1557 CA SER A 105 -32.885 2.236 48.383 1.00 1.00 C ATOM 1558 C SER A 105 -34.105 3.015 47.861 1.00 1.00 C ATOM 1559 O SER A 105 -35.160 2.414 47.645 1.00 1.00 O ATOM 1560 CB SER A 105 -33.051 1.970 49.884 1.00 1.00 C ATOM 1561 OG SER A 105 -32.904 3.171 50.625 1.00 1.00 O ATOM 0 H SER A 105 -31.197 3.331 48.975 1.00 1.00 H new ATOM 0 HA SER A 105 -32.859 1.306 47.816 1.00 1.00 H new ATOM 0 HB2 SER A 105 -34.033 1.537 50.075 1.00 1.00 H new ATOM 0 HB3 SER A 105 -32.311 1.241 50.213 1.00 1.00 H new ATOM 0 HG SER A 105 -33.015 2.982 51.580 1.00 1.00 H new ATOM 1567 N SER A 106 -33.987 4.332 47.649 1.00 1.00 N ATOM 1568 CA SER A 106 -35.053 5.221 47.144 1.00 1.00 C ATOM 1569 C SER A 106 -34.484 6.537 46.572 1.00 1.00 C ATOM 1570 O SER A 106 -33.388 6.942 46.975 1.00 1.00 O ATOM 1571 CB SER A 106 -36.020 5.576 48.289 1.00 1.00 C ATOM 1572 OG SER A 106 -36.947 4.527 48.519 1.00 1.00 O ATOM 0 H SER A 106 -33.116 4.831 47.830 1.00 1.00 H new ATOM 0 HA SER A 106 -35.568 4.685 46.347 1.00 1.00 H new ATOM 0 HB2 SER A 106 -35.454 5.771 49.200 1.00 1.00 H new ATOM 0 HB3 SER A 106 -36.557 6.493 48.045 1.00 1.00 H new ATOM 0 HG SER A 106 -36.555 3.675 48.233 1.00 1.00 H new ATOM 1578 N PRO A 107 -35.213 7.243 45.677 1.00 1.00 N ATOM 1579 CA PRO A 107 -34.782 8.521 45.092 1.00 1.00 C ATOM 1580 C PRO A 107 -34.353 9.588 46.111 1.00 1.00 C ATOM 1581 O PRO A 107 -33.401 10.327 45.866 1.00 1.00 O ATOM 1582 CB PRO A 107 -35.967 9.018 44.254 1.00 1.00 C ATOM 1583 CG PRO A 107 -36.728 7.742 43.905 1.00 1.00 C ATOM 1584 CD PRO A 107 -36.514 6.863 45.134 1.00 1.00 C ATOM 0 HA PRO A 107 -33.881 8.350 44.502 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -36.590 9.714 44.816 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -35.632 9.541 43.358 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -37.786 7.939 43.730 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -36.337 7.274 43.002 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -37.304 7.019 45.868 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -36.532 5.807 44.866 1.00 1.00 H new ATOM 1592 N VAL A 108 -35.021 9.664 47.270 1.00 1.00 N ATOM 1593 CA VAL A 108 -34.688 10.623 48.345 1.00 1.00 C ATOM 1594 C VAL A 108 -33.275 10.376 48.894 1.00 1.00 C ATOM 1595 O VAL A 108 -32.542 11.326 49.171 1.00 1.00 O ATOM 1596 CB VAL A 108 -35.734 10.570 49.480 1.00 1.00 C ATOM 1597 CG1 VAL A 108 -35.453 11.607 50.576 1.00 1.00 C ATOM 1598 CG2 VAL A 108 -37.149 10.846 48.946 1.00 1.00 C ATOM 0 H VAL A 108 -35.813 9.061 47.494 1.00 1.00 H new ATOM 0 HA VAL A 108 -34.709 11.623 47.912 1.00 1.00 H new ATOM 0 HB VAL A 108 -35.666 9.565 49.896 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -36.215 11.532 51.352 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -34.472 11.419 51.011 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -35.473 12.608 50.144 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -37.863 10.802 49.768 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -37.180 11.836 48.491 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -37.409 10.096 48.199 1.00 1.00 H new ATOM 1608 N VAL A 109 -32.858 9.109 48.999 1.00 1.00 N ATOM 1609 CA VAL A 109 -31.507 8.722 49.445 1.00 1.00 C ATOM 1610 C VAL A 109 -30.472 9.099 48.379 1.00 1.00 C ATOM 1611 O VAL A 109 -29.409 9.622 48.718 1.00 1.00 O ATOM 1612 CB VAL A 109 -31.439 7.218 49.785 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -30.061 6.813 50.324 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -32.477 6.849 50.855 1.00 1.00 C ATOM 0 H VAL A 109 -33.453 8.312 48.775 1.00 1.00 H new ATOM 0 HA VAL A 109 -31.275 9.270 50.359 1.00 1.00 H new ATOM 0 HB VAL A 109 -31.640 6.689 48.853 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -30.058 5.747 50.550 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -29.300 7.027 49.574 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -29.845 7.377 51.231 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -32.408 5.784 51.077 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -32.284 7.422 51.762 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -33.477 7.079 50.487 1.00 1.00 H new ATOM 1624 N ALA A 110 -30.795 8.910 47.093 1.00 1.00 N ATOM 1625 CA ALA A 110 -29.934 9.317 45.982 1.00 1.00 C ATOM 1626 C ALA A 110 -29.707 10.842 45.997 1.00 1.00 C ATOM 1627 O ALA A 110 -28.567 11.306 45.984 1.00 1.00 O ATOM 1628 CB ALA A 110 -30.560 8.846 44.662 1.00 1.00 C ATOM 0 H ALA A 110 -31.665 8.468 46.796 1.00 1.00 H new ATOM 0 HA ALA A 110 -28.954 8.851 46.087 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -29.923 9.146 43.830 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -30.656 7.760 44.672 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -31.546 9.297 44.546 1.00 1.00 H new ATOM 1634 N GLU A 111 -30.785 11.629 46.097 1.00 1.00 N ATOM 1635 CA GLU A 111 -30.718 13.096 46.193 1.00 1.00 C ATOM 1636 C GLU A 111 -29.906 13.546 47.418 1.00 1.00 C ATOM 1637 O GLU A 111 -29.063 14.437 47.297 1.00 1.00 O ATOM 1638 CB GLU A 111 -32.138 13.685 46.256 1.00 1.00 C ATOM 1639 CG GLU A 111 -32.898 13.614 44.923 1.00 1.00 C ATOM 1640 CD GLU A 111 -32.347 14.621 43.895 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -32.794 15.794 43.892 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -31.472 14.247 43.078 1.00 1.00 O ATOM 0 H GLU A 111 -31.737 11.264 46.114 1.00 1.00 H new ATOM 0 HA GLU A 111 -30.211 13.466 45.302 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -32.708 13.153 47.018 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -32.076 14.726 46.573 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -32.827 12.605 44.517 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -33.955 13.814 45.097 1.00 1.00 H new ATOM 1649 N SER A 112 -30.108 12.905 48.578 1.00 1.00 N ATOM 1650 CA SER A 112 -29.360 13.189 49.814 1.00 1.00 C ATOM 1651 C SER A 112 -27.858 12.920 49.651 1.00 1.00 C ATOM 1652 O SER A 112 -27.032 13.685 50.153 1.00 1.00 O ATOM 1653 CB SER A 112 -29.895 12.362 50.990 1.00 1.00 C ATOM 1654 OG SER A 112 -31.251 12.678 51.262 1.00 1.00 O ATOM 0 H SER A 112 -30.803 12.166 48.687 1.00 1.00 H new ATOM 0 HA SER A 112 -29.503 14.249 50.023 1.00 1.00 H new ATOM 0 HB2 SER A 112 -29.805 11.300 50.762 1.00 1.00 H new ATOM 0 HB3 SER A 112 -29.290 12.551 51.877 1.00 1.00 H new ATOM 0 HG SER A 112 -31.826 12.259 50.588 1.00 1.00 H new ATOM 1660 N HIS A 113 -27.486 11.863 48.921 1.00 1.00 N ATOM 1661 CA HIS A 113 -26.092 11.536 48.624 1.00 1.00 C ATOM 1662 C HIS A 113 -25.453 12.591 47.700 1.00 1.00 C ATOM 1663 O HIS A 113 -24.362 13.080 48.000 1.00 1.00 O ATOM 1664 CB HIS A 113 -26.018 10.130 48.007 1.00 1.00 C ATOM 1665 CG HIS A 113 -24.683 9.829 47.374 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -23.539 9.421 48.022 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -24.364 9.994 46.053 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -22.555 9.345 47.111 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -23.013 9.673 45.893 1.00 1.00 N ATOM 0 H HIS A 113 -28.153 11.205 48.517 1.00 1.00 H new ATOM 0 HA HIS A 113 -25.521 11.544 49.553 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -26.221 9.390 48.781 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -26.801 10.028 47.255 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -23.454 9.213 49.017 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -25.037 10.315 45.272 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -21.536 9.059 47.329 1.00 1.00 H new ATOM 1677 N TYR A 114 -26.121 12.967 46.600 1.00 1.00 N ATOM 1678 CA TYR A 114 -25.604 13.949 45.635 1.00 1.00 C ATOM 1679 C TYR A 114 -25.296 15.332 46.239 1.00 1.00 C ATOM 1680 O TYR A 114 -24.360 15.994 45.782 1.00 1.00 O ATOM 1681 CB TYR A 114 -26.556 14.076 44.432 1.00 1.00 C ATOM 1682 CG TYR A 114 -26.665 12.832 43.562 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -25.499 12.207 43.077 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -27.927 12.305 43.217 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -25.588 11.040 42.300 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -28.021 11.127 42.451 1.00 1.00 C ATOM 1687 CZ TYR A 114 -26.847 10.484 42.000 1.00 1.00 C ATOM 1688 OH TYR A 114 -26.915 9.334 41.281 1.00 1.00 O ATOM 0 H TYR A 114 -27.039 12.597 46.353 1.00 1.00 H new ATOM 0 HA TYR A 114 -24.642 13.559 45.302 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -27.550 14.332 44.800 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -26.223 14.907 43.811 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -24.531 12.628 43.304 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -28.826 12.808 43.542 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -24.689 10.568 41.932 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -28.990 10.716 42.209 1.00 1.00 H new ATOM 0 HH TYR A 114 -27.853 9.079 41.159 1.00 1.00 H new ATOM 1698 N ILE A 115 -26.032 15.765 47.273 1.00 1.00 N ATOM 1699 CA ILE A 115 -25.793 17.048 47.968 1.00 1.00 C ATOM 1700 C ILE A 115 -24.807 16.930 49.147 1.00 1.00 C ATOM 1701 O ILE A 115 -24.469 17.939 49.769 1.00 1.00 O ATOM 1702 CB ILE A 115 -27.119 17.744 48.371 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -28.014 16.996 49.387 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -27.944 18.031 47.103 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -27.529 17.021 50.842 1.00 1.00 C ATOM 0 H ILE A 115 -26.815 15.235 47.656 1.00 1.00 H new ATOM 0 HA ILE A 115 -25.300 17.696 47.243 1.00 1.00 H new ATOM 0 HB ILE A 115 -26.804 18.650 48.889 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -29.014 17.427 49.349 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -28.102 15.957 49.070 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -28.878 18.520 47.380 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -27.376 18.682 46.439 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -28.163 17.094 46.592 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -28.229 16.468 51.468 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -26.543 16.560 50.905 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -27.470 18.053 51.188 1.00 1.00 H new ATOM 1717 N GLY A 116 -24.331 15.718 49.460 1.00 1.00 N ATOM 1718 CA GLY A 116 -23.405 15.439 50.561 1.00 1.00 C ATOM 1719 C GLY A 116 -21.932 15.373 50.138 1.00 1.00 C ATOM 1720 O GLY A 116 -21.598 15.176 48.965 1.00 1.00 O ATOM 0 H GLY A 116 -24.588 14.881 48.937 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -23.519 16.211 51.322 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -23.682 14.492 51.024 1.00 1.00 H new ATOM 1724 N LYS A 117 -21.029 15.524 51.117 1.00 1.00 N ATOM 1725 CA LYS A 117 -19.567 15.513 50.908 1.00 1.00 C ATOM 1726 C LYS A 117 -19.040 14.213 50.295 1.00 1.00 C ATOM 1727 O LYS A 117 -18.060 14.259 49.556 1.00 1.00 O ATOM 1728 CB LYS A 117 -18.832 15.816 52.229 1.00 1.00 C ATOM 1729 CG LYS A 117 -19.182 17.166 52.886 1.00 1.00 C ATOM 1730 CD LYS A 117 -18.852 18.382 52.003 1.00 1.00 C ATOM 1731 CE LYS A 117 -19.178 19.716 52.692 1.00 1.00 C ATOM 1732 NZ LYS A 117 -18.267 20.012 53.832 1.00 1.00 N ATOM 0 H LYS A 117 -21.294 15.660 52.093 1.00 1.00 H new ATOM 0 HA LYS A 117 -19.361 16.298 50.180 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -19.052 15.018 52.938 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -17.758 15.790 52.042 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -20.245 17.179 53.126 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -18.641 17.254 53.828 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -17.794 18.361 51.742 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -19.412 18.312 51.070 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -19.113 20.523 51.962 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -20.207 19.693 53.051 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -18.520 20.930 54.250 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -18.359 19.267 54.552 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -17.285 20.046 53.492 1.00 1.00 H new ATOM 1746 N THR A 118 -19.677 13.070 50.557 1.00 1.00 N ATOM 1747 CA THR A 118 -19.285 11.754 50.010 1.00 1.00 C ATOM 1748 C THR A 118 -19.214 11.767 48.480 1.00 1.00 C ATOM 1749 O THR A 118 -18.244 11.278 47.897 1.00 1.00 O ATOM 1750 CB THR A 118 -20.259 10.657 50.476 1.00 1.00 C ATOM 1751 OG1 THR A 118 -20.438 10.742 51.875 1.00 1.00 O ATOM 1752 CG2 THR A 118 -19.755 9.246 50.162 1.00 1.00 C ATOM 0 H THR A 118 -20.495 13.024 51.165 1.00 1.00 H new ATOM 0 HA THR A 118 -18.288 11.536 50.392 1.00 1.00 H new ATOM 0 HB THR A 118 -21.192 10.823 49.937 1.00 1.00 H new ATOM 0 HG1 THR A 118 -21.060 10.044 52.168 1.00 1.00 H new ATOM 0 HG21 THR A 118 -20.482 8.514 50.513 1.00 1.00 H new ATOM 0 HG22 THR A 118 -19.622 9.138 49.086 1.00 1.00 H new ATOM 0 HG23 THR A 118 -18.802 9.080 50.664 1.00 1.00 H new ATOM 1760 N HIS A 119 -20.206 12.372 47.815 1.00 1.00 N ATOM 1761 CA HIS A 119 -20.218 12.507 46.356 1.00 1.00 C ATOM 1762 C HIS A 119 -19.129 13.476 45.879 1.00 1.00 C ATOM 1763 O HIS A 119 -18.387 13.169 44.948 1.00 1.00 O ATOM 1764 CB HIS A 119 -21.605 12.969 45.894 1.00 1.00 C ATOM 1765 CG HIS A 119 -21.755 12.939 44.393 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -21.847 11.782 43.611 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -21.827 14.032 43.580 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -21.970 12.209 42.343 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -21.962 13.554 42.295 1.00 1.00 N ATOM 0 H HIS A 119 -21.021 12.780 48.273 1.00 1.00 H new ATOM 0 HA HIS A 119 -20.002 11.535 45.913 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -22.365 12.331 46.344 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -21.785 13.982 46.254 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -21.786 15.068 43.884 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -22.062 11.563 41.482 1.00 1.00 H new ATOM 0 HE2 HIS A 119 -22.042 14.122 41.452 1.00 1.00 H new ATOM 1777 N ILE A 120 -19.002 14.630 46.547 1.00 1.00 N ATOM 1778 CA ILE A 120 -18.022 15.686 46.233 1.00 1.00 C ATOM 1779 C ILE A 120 -16.573 15.180 46.325 1.00 1.00 C ATOM 1780 O ILE A 120 -15.777 15.438 45.421 1.00 1.00 O ATOM 1781 CB ILE A 120 -18.287 16.944 47.092 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -19.712 17.464 46.774 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -17.233 18.037 46.822 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -20.140 18.709 47.562 1.00 1.00 C ATOM 0 H ILE A 120 -19.594 14.864 47.344 1.00 1.00 H new ATOM 0 HA ILE A 120 -18.156 15.977 45.191 1.00 1.00 H new ATOM 0 HB ILE A 120 -18.214 16.684 48.148 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -19.771 17.689 45.709 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -20.426 16.665 46.971 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -17.446 18.909 47.441 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -16.242 17.654 47.064 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -17.265 18.322 45.770 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -21.150 18.995 47.270 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -20.120 18.489 48.629 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -19.454 19.529 47.348 1.00 1.00 H new ATOM 1796 N LYS A 121 -16.224 14.410 47.366 1.00 1.00 N ATOM 1797 CA LYS A 121 -14.890 13.799 47.521 1.00 1.00 C ATOM 1798 C LYS A 121 -14.566 12.862 46.352 1.00 1.00 C ATOM 1799 O LYS A 121 -13.455 12.890 45.823 1.00 1.00 O ATOM 1800 CB LYS A 121 -14.807 13.049 48.862 1.00 1.00 C ATOM 1801 CG LYS A 121 -14.700 14.015 50.052 1.00 1.00 C ATOM 1802 CD LYS A 121 -14.705 13.255 51.381 1.00 1.00 C ATOM 1803 CE LYS A 121 -14.552 14.233 52.553 1.00 1.00 C ATOM 1804 NZ LYS A 121 -14.518 13.520 53.857 1.00 1.00 N ATOM 0 H LYS A 121 -16.862 14.190 48.131 1.00 1.00 H new ATOM 0 HA LYS A 121 -14.146 14.596 47.517 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -15.690 12.421 48.982 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -13.942 12.385 48.854 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -13.785 14.601 49.968 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -15.532 14.719 50.029 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -15.635 12.695 51.484 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -13.892 12.529 51.396 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -13.636 14.811 52.429 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -15.379 14.942 52.547 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -14.414 14.211 54.628 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -15.403 12.989 53.985 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -13.713 12.861 53.872 1.00 1.00 H new ATOM 1818 N ASN A 122 -15.548 12.076 45.903 1.00 1.00 N ATOM 1819 CA ASN A 122 -15.391 11.186 44.752 1.00 1.00 C ATOM 1820 C ASN A 122 -15.140 11.949 43.437 1.00 1.00 C ATOM 1821 O ASN A 122 -14.413 11.427 42.593 1.00 1.00 O ATOM 1822 CB ASN A 122 -16.582 10.221 44.659 1.00 1.00 C ATOM 1823 CG ASN A 122 -16.391 9.012 45.560 1.00 1.00 C ATOM 1824 OD1 ASN A 122 -15.780 8.023 45.183 1.00 1.00 O ATOM 1825 ND2 ASN A 122 -16.880 9.044 46.778 1.00 1.00 N ATOM 0 H ASN A 122 -16.474 12.039 46.328 1.00 1.00 H new ATOM 0 HA ASN A 122 -14.491 10.592 44.911 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -17.497 10.743 44.938 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -16.705 9.891 43.627 1.00 1.00 H new ATOM 0 HD21 ASN A 122 -16.749 8.247 47.401 1.00 1.00 H new ATOM 0 HD22 ASN A 122 -17.391 9.865 47.101 1.00 1.00 H new